SCHEMBL21991789

SCHEMBL21991789

COC(=O)Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.51
MAPK14 Q16539 1/20 0.47
LMNA P02545 1/20 0.47
MMP2 P08253 2/20 0.46
MMP9 P14780 2/20 0.46
ELANE P08246 1/20 0.46
MMP14 P50281 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LTA4H P09960 1/20 0.44
EPHX2 P34913 1/20 0.44
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
LIPE Q05469 1/20 0.42
CYP1A1 P04798 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL697018 0.95 KIF11 (0.56) KIF11LMNAALDH1A1MEN1KMT2A
SCHEMBL21991249 0.85 MMP2 (0.49) KIF11MAPK14MMP2MMP9ELANE
SCHEMBL6936328 0.85 MMP2 (0.55) LMNAMMP2MMP9ELANEMMP14
SCHEMBL1720744 0.83 KIF11 (0.63) KIF11ALDH1A1MEN1KMT2AEPHX2
SCHEMBL8329346 0.82 KIF11 (0.54) KIF11MAPK14LMNAELANEKDM4E
SCHEMBL21991251 0.82 MMP14 (0.50) KIF11MAPK14MMP2MMP9ELANE
SCHEMBL21991493 0.82 MAOB (0.66) MMP2MMP9
SCHEMBL11268743 0.81 KIF11 (0.46) KIF11MAPK14LMNAMMP2MMP9
SCHEMBL11268738 0.81 KIF11 (0.46) KIF11MAPK14LMNAMMP2MMP9
SCHEMBL16395041 0.81 ESR1 (0.44) KIF11LMNAMMP2MMP9ELANE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220409566-A1 CCL5 Inhibitors LAPKO INC, dba AFECTA PHARMACEUTICALS 2022-12-29 US disclosed
US-20220142961-A1 CCL5 Inhibitors LAPKO INC, dba AFECTA PHARMACEUTICALS 2022-05-12 US disclosed
US-11318111-B2 CCL5 inhibitors LAPKO INC (US) 2022-05-03 US disclosed
US-20210196665-A1 CCL5 Inhibitors AFECTA PHARMACEUTICALS, INC. (US) 2021-07-01 US disclosed
US-10940132-B2 CCL5 inhibitors AFECTA PHARMACEUTICALS, INC. (US) 2021-03-09 US disclosed
US-20200138766-A1 CCL5 INHIBITORS LAPKO INC. DBA AFECTA PHARMACEUTICALS 2020-05-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220142961-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 KIF11 4250/4885MAPK14 2558/4885LMNA 4533/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 KIF11 4250/4885MAPK14 2558/4885LMNA 4533/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 KIF11 4250/4885MAPK14 2558/4885LMNA 4533/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 KIF11 4250/4885MAPK14 2558/4885LMNA 4533/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 KIF11 4250/4885MAPK14 2558/4885LMNA 4533/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 KIF11 4250/4885MAPK14 2558/4885LMNA 4533/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.